(4R)-4-(3-Furyl)-1,4,4a,5,6,6abeta,7,8,9,10,11,12-Dodecahydro-4abeta,7,9,9-Tetramethyl-2,10,13-Trioxo-7beta,11beta-Methano-2H-Cycloocta[f][2]Benzopyran-8beta-Acetic Acid Methyl Ester
[CAS# 1915-67-9]

Identification

• Name: (4R)-4-(3-Furyl)-1,4,4a,5,6,6abeta,7,8,9,10,11,12-Dodecahydro-4abeta,7,9,9-Tetramethyl-2,10,13-Trioxo-7beta,11beta-Methano-2H-Cycloocta[f][2]Benzopyran-8beta-Acetic Acid Methyl Ester
• Molecular Formula: C₂₇H₃₂O₇
• Molecular Weight: 468.55
• CAS Registry Number: 1915-67-9
• SMILES: [C@]45([C@@H]1C(=C2[C@@](CC1)([C@@H](OC(=O)C2)C3=COC=C3)C)C[C@H](C4=O)C(=O)C([C@@H]5CC(OC)=O)(C)C)C
• InChI: 1S/C27H32O7/c1-25(2)19(12-20(28)32-5)27(4)17-6-8-26(3)18(15(17)10-16(22(25)30)23(27)31)11-21(29)34-24(26)14-7-9-33-13-14/h7,9,13,16-17,19,24H,6,8,10-12H2,1-5H3/t16-,17-,19-,24-,26+,27-/m0/s1
• InChIKey: DNFJSIPZGYBGON-NRQRQPCMSA-N

Properties

• Density: 1.272g/cm³ (Cal.)
• Boiling point: 616.783°C at 760 mmHg (Cal.)
• Flash point: 326.819°C (Cal.)